⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2265552 | 0.90 | TSHR (0.32) | — | |
| SCHEMBL439564 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL15641737 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL14733126 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL29620670 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL14065529 | 0.73 | — | — | |
| SCHEMBL15440835 | 0.73 | MEN1 (0.35) | — | |
| SCHEMBL15494048 | 0.73 | — | — | |
| SCHEMBL14733122 | 0.73 | — | — | |
| SCHEMBL14065517 | 0.73 | TSHR (0.49) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5540794-A | INCLUDING A PLASTICIZER AND NITROCELLULOSE; RESISTANCE TO ACCIDENTAL IGNITION FORM HEAT, FLAME, IMPACT, FRICTION, SHOCK AND CHEMICAL ACTION; BLOCK POLYMER HAS ONE CRYSTALLINE BLOCK AND OTHER AMORPHOUS BLOCK | THIOKOL CORPORATION (US) | 1996-07-30 | — | — | US | claimed |
| US-5540794-A | INCLUDING A PLASTICIZER AND NITROCELLULOSE; RESISTANCE TO ACCIDENTAL IGNITION FORM HEAT, FLAME, IMPACT, FRICTION, SHOCK AND CHEMICAL ACTION; BLOCK POLYMER HAS ONE CRYSTALLINE BLOCK AND OTHER AMORPHOUS BLOCK | THIOKOL CORPORATION (US) | 1996-07-30 | — | — | US | disclosed |